# generated using pymatgen
data_Y3Ni6B2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07747652
_cell_length_b   5.07747687
_cell_length_c   14.45558300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ni6B2Ir
_chemical_formula_sum   'Y6 Ni12 B4 Ir2'
_cell_volume   322.74691675
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Y  Y0  1  0.33333300  0.66666700  0.96892749  1.0
  Y  Y1  1  0.66666700  0.33333300  0.03107251  1.0
  Y  Y2  1  0.66666700  0.33333300  0.46892749  1.0
  Y  Y3  1  0.33333300  0.66666700  0.53107251  1.0
  Y  Y4  1  0.33333300  0.66666700  0.75000000  1.0
  Y  Y5  1  0.66666700  0.33333300  0.25000000  1.0
  Ni  Ni6  1  0.16468110  0.83531890  0.34718096  1.0
  Ni  Ni7  1  0.16468110  0.32936119  0.34718096  1.0
  Ni  Ni8  1  0.67063881  0.83531890  0.34718096  1.0
  Ni  Ni9  1  0.83531890  0.16468110  0.65281904  1.0
  Ni  Ni10  1  0.83531890  0.67063881  0.65281904  1.0
  Ni  Ni11  1  0.32936119  0.16468110  0.65281904  1.0
  Ni  Ni12  1  0.83531890  0.16468110  0.84718096  1.0
  Ni  Ni13  1  0.83531890  0.67063881  0.84718096  1.0
  Ni  Ni14  1  0.32936119  0.16468110  0.84718096  1.0
  Ni  Ni15  1  0.16468110  0.83531890  0.15281904  1.0
  Ni  Ni16  1  0.16468110  0.32936119  0.15281904  1.0
  Ni  Ni17  1  0.67063881  0.83531890  0.15281904  1.0
  B  B18  1  0.33333300  0.66666700  0.25000000  1.0
  B  B19  1  0.66666700  0.33333300  0.75000000  1.0
  B  B20  1  0.00000000  0.00000000  0.25000000  1.0
  B  B21  1  0.00000000  0.00000000  0.75000000  1.0
  Ir  Ir22  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir23  1  0.00000000  0.00000000  0.00000000  1.0